V004-0398 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]piperazine

V004-0398 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]piperazine
V004-0398 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0398
1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]piperazine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V004-0398

Molecular Formula

C23H21F3N6O4S (C23 H21 F3 N6 O4 S)

Compound Name

1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]piperazine

IUPAC name

1-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]piperazine

SMILES

COc(cc1)ccc1-c(cnc1ncnn11)c1N(CC1)CCN1S(c(cc1)ccc1OC(F)(F)F)(=O)=O

InChI

InChI=1S/C23H21F3N6O4S/c1-35-17-4-2-16(3-5-17)20-14-27-22-28-15-29-32(22)21(20)30-10-12-31(13-11-30)37(33,34)19-8-6-18(7-9-19)36-23(24,25)26/h2-9,14-15H,10-13H2,1H3

InChI Key

ABLRLHPPDZHPTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960755

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

534.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.23

Polar Surface Area

79.248

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V004-0398 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0398?
Check Price and Availability of V004-0398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0398
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V004-0398 available by request